6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide

C21H16ClN3O3 — CID 109100856

IUPAC6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C21H16ClN3O3/c1-13(26)14-4-2-5-17(12-14)24-21(28)19-7-3-6-18(25-19)20(27)23-16-10-8-15(22)9-11-16/h2-12H,1H3,(H,23,27)(H,24,28)
InChIKeyFXZBDYCYWNQCPW-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.44
Rot. Bonds5

About 6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide

6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide (PubChem CID 109100856) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
PubChem CID109100856
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C21H16ClN3O3/c1-13(26)14-4-2-5-17(12-14)24-21(28)19-7-3-6-18(25-19)20(27)23-16-10-8-15(22)9-11-16/h2-12H,1H3,(H,23,27)(H,24,28)
InChIKeyFXZBDYCYWNQCPW-UHFFFAOYSA-N
XLogP4.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101017
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099391
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
N-(3-acetylphenyl)-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337269
N-(3-acetylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224356

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide (CID 109100856) is 6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is FXZBDYCYWNQCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-13(26)14-4-2-5-17(12-14)24-21(28)19-7-3-6-18(25-19)20(27)23-16-10-8-15(22)9-11-16/h2-12H,1H3,(H,23,27)(H,24,28).
What are the key properties of 6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide?
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109100856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).